SCHEMBL2559963

SCHEMBL2559963

COC(=O)C(C=O)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 4/20 0.46
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.36
LY96 Q9Y6Y9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30913239 1.00 CYP2C19 (0.47) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL28302150 0.85 PIN1 (0.44) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL8464873 0.83 KMT2A (0.46) KMT2AHTTALDH1A1MEN1
SCHEMBL16416520 0.80 HTT (0.39) CYP2C19CYP2C9KMT2AHTTALDH1A1
SCHEMBL649031 0.79 CYP2C19 (0.46) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL1345452 0.79 CYP2C19 (0.49) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL9126501 0.79 CYP2C19 (0.46) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL31383801 0.79 CYP2C19 (0.49) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL30078420 0.79 CYP2C19 (0.46) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL30574489 0.77 CYP2C19 (0.44) CYP2C19CYP2C9KMT2AHTTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-10662173-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-26 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
CN-105408321-B Indoles and azole derivatives, their preparation method and the pharmaceutical composition containing them 法国施维雅药厂 2019-03-08 CN disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20170342051-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-11-30 US disclosed
US-9765056-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-09-19 US disclosed
US-20160152599-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-06-02 US disclosed
CN-105408321-A Novel derivatives of indole and pyrrole, method for the production thereof and pharmaceutical compositions containing same SERVIER LAB 2016-03-16 CN disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170342051-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RB1, IDO1, BCL2A1 CYP2C19 1069/4885CYP2C9 1298/4885KMT2A 3770/4885
US-10662173-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them RB1, IDO1, BCL2A1 CYP2C19 1069/4885CYP2C9 1298/4885KMT2A 3770/4885
US-20160152599-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDO1, IDO2, NFATC1 CYP2C19 1407/4885CYP2C9 2009/4885KMT2A 2946/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.